logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01577617

 MMsINC code: MMs02235852
Type: Neutral
Formula: C20H23NO2
SMILES:   O1C(C(OC12CCN(CC2)C)c1ccccc1)c1ccccc1
InChI:   InChI=1/C20H23NO2/c1-21-14-12-20(13-15-21)22-18(16-8-4-2-5-9-16)19(23-20)17-10-6-3-7-11-17/h2-11,18-19H,12-15H2,1H3/t18-,19-/m1/s1

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=65.6329 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 309.409 g/mol  logS: -4.06669  SlogP: 4.1287  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.116224  Sterimol/B1: 2.73591  Sterimol/B2: 4.44668  Sterimol/B3: 5.82052
  Sterimol/B4: 6.39226  Sterimol/L: 14.5406 
 
 Surface and Volume Properties
  Accessible surface: 554.321  Positive charged surface: 382.495  Negative charged surface: 171.826  Volume: 319.875
  Hydrophobic surface: 539.779  Hydrophilic surface: 14.542
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 2
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02235853
NCID-ZINC01577617